2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone

C8H10ClN3O — CID 112545884

IUPAC2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone
SMILESNCC(=O)c1nc2n(c1Cl)CCC2
InChIInChI=1S/C8H10ClN3O/c9-8-7(5(13)4-10)11-6-2-1-3-12(6)8/h1-4,10H2
InChIKeyUAOUBEFAFPEDOY-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.62
Rot. Bonds2

About 2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone

2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone (PubChem CID 112545884) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone
PubChem CID112545884
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone
SMILESNCC(=O)c1nc2n(c1Cl)CCC2
InChIInChI=1S/C8H10ClN3O/c9-8-7(5(13)4-10)11-6-2-1-3-12(6)8/h1-4,10H2
InChIKeyUAOUBEFAFPEDOY-UHFFFAOYSA-N
XLogP0.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone?
The IUPAC name of 2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone (CID 112545884) is 2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone is NCC(=O)c1nc2n(c1Cl)CCC2.
What is the InChIKey of 2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone?
The InChIKey is UAOUBEFAFPEDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c9-8-7(5(13)4-10)11-6-2-1-3-12(6)8/h1-4,10H2.
What are the key properties of 2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone?
2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone has a molecular weight of 199.64 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethanone is sourced from PubChem (CID 112545884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).